Molecule

ID:58174

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKey
QSGPRSNMQHVIHE-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cs1)CC(=O)N
Isomeric Smiles
c1(nc(cs1)CC(=O)N)C
Calculated Properties
JChem
Acid pKa
15.3661585
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.02959904
LogD (pH = 7.4)
-0.028257797
Log P
-0.028240671
Molar Refractivity
38.4649
Polarizability
14.818554
Polar Surface Area
55.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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